cobalt;1-ethyl-3-methyl-2H-imidazole;methanone

C10H16CoN2O4-4 — CID 174605686

IUPACcobalt;1-ethyl-3-methyl-2H-imidazole;methanone
SMILESCCN1C=CN(C)C1.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Co]
InChIInChI=1S/C6H12N2.4CHO.Co/c1-3-8-5-4-7(2)6-8;4*1-2;/h4-5H,3,6H2,1-2H3;4*1H;/q;4*-1;
InChIKeyULXFQEITORANPH-UHFFFAOYSA-N
MW287.18 g/mol
LogP-0.42
Rot. Bonds1

About cobalt;1-ethyl-3-methyl-2H-imidazole;methanone

cobalt;1-ethyl-3-methyl-2H-imidazole;methanone (PubChem CID 174605686) has the molecular formula C10H16CoN2O4-4 and a molecular weight of 287.18 g/mol. Its IUPAC name is cobalt;1-ethyl-3-methyl-2H-imidazole;methanone.

Molecular Properties

Compound Namecobalt;1-ethyl-3-methyl-2H-imidazole;methanone
PubChem CID174605686
Molecular FormulaC10H16CoN2O4-4
Molecular Weight287.18 g/mol
Exact Mass287.05
IUPAC Namecobalt;1-ethyl-3-methyl-2H-imidazole;methanone
SMILESCCN1C=CN(C)C1.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Co]
InChIInChI=1S/C6H12N2.4CHO.Co/c1-3-8-5-4-7(2)6-8;4*1-2;/h4-5H,3,6H2,1-2H3;4*1H;/q;4*-1;
InChIKeyULXFQEITORANPH-UHFFFAOYSA-N
XLogP-0.42
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride
CID 174780208
1-ethyl-3-methyl-2H-imidazole;phosphoric acid
CID 135221908
1-ethyl-3-methyl-2H-imidazole formate
CID 162292973
1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane)
CID 175554894
acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride
CID 172844057
1-ethyl-3-methyl-2H-imidazole;propanoate
CID 162288775
azanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate
CID 174106655
potassium;1-ethyl-3-methyl-2H-imidazole;hexafluorophosphate
CID 174903378
difluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide)
CID 160727359
1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane
CID 175320698
cyanamide;1-ethyl-3-methyl-2H-imidazole
CID 118007414
1-ethyl-3-methyl-2H-imidazole;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 171930048

Frequently Asked Questions

What is the IUPAC name of cobalt;1-ethyl-3-methyl-2H-imidazole;methanone?
The IUPAC name of cobalt;1-ethyl-3-methyl-2H-imidazole;methanone (CID 174605686) is cobalt;1-ethyl-3-methyl-2H-imidazole;methanone.
What is the SMILES notation for cobalt;1-ethyl-3-methyl-2H-imidazole;methanone?
The canonical SMILES for cobalt;1-ethyl-3-methyl-2H-imidazole;methanone is CCN1C=CN(C)C1.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Co].
What is the InChIKey of cobalt;1-ethyl-3-methyl-2H-imidazole;methanone?
The InChIKey is ULXFQEITORANPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.4CHO.Co/c1-3-8-5-4-7(2)6-8;4*1-2;/h4-5H,3,6H2,1-2H3;4*1H;/q;4*-1;.
What are the key properties of cobalt;1-ethyl-3-methyl-2H-imidazole;methanone?
cobalt;1-ethyl-3-methyl-2H-imidazole;methanone has a molecular weight of 287.18 g/mol, XLogP of -0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;1-ethyl-3-methyl-2H-imidazole;methanone is sourced from PubChem (CID 174605686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).